⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25533090 | 0.83 | SLC6A9 (0.31) | — | |
| SCHEMBL7927799 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL18531632 | 0.78 | — | — | |
| SCHEMBL21715915 | 0.76 | — | — | |
| SCHEMBL22930332 | 0.72 | — | — | |
| SCHEMBL7927933 | 0.72 | — | — | |
| SCHEMBL7927875 | 0.67 | CA12 (0.32) | — | |
| SCHEMBL18745628 | 0.66 | — | — | |
| SCHEMBL20099578 | 0.66 | — | — | |
| SCHEMBL7927868 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |